Information card for entry 7022562

Structure parameters

• Formula: C21 H9 Al B F15 N
• Calculated formula: C21 H12 Al B F15 N
• SMILES: [Al](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[H][BH2][N](C)(C)C
• Title of publication: CO2 reduction via aluminum complexes of ammonia boranes.
• Authors of publication: Ménard, Gabriel; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5447 - 5453
• a: 10.4136 ± 0.0006 Å
• b: 10.9685 ± 0.0006 Å
• c: 12.1639 ± 0.0007 Å
• α: 110.843 ± 0.003°
• β: 111.842 ± 0.003°
• γ: 94.792 ± 0.003°
• Cell volume: 1167.31 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No